W3M
Summary
| Name: | 1H-imidazole-5-carbonitrile |
| Formula: | C4 H3 N3 |
| Formal charge: | 0 |
| Formula weight: | 93.087 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-imidazole-5-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-imidazole-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cncc1C#N |
| InChI | InChI | 1.03 | InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7) |
| InChIKey | InChI | 1.03 | NWVGXXPWOYZODV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1[nH]cnc1 |
| SMILES | CACTVS | 3.385 | N#Cc1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)C#N |
